magnesium;2-amino-3-methylbutanoic acid;sulfate

C5H11MgNO6S — CID 87981474

IUPACmagnesium;2-amino-3-methylbutanoic acid;sulfate
SMILESCC(C)C(N)C(=O)O.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C5H11NO2.Mg.H2O4S/c1-3(2)4(6)5(7)8;;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyJHGLUJMOZUGYAB-UHFFFAOYSA-L
MW237.52 g/mol
LogP-1.66
Rot. Bonds2

About magnesium;2-amino-3-methylbutanoic acid;sulfate

magnesium;2-amino-3-methylbutanoic acid;sulfate (PubChem CID 87981474) has the molecular formula C5H11MgNO6S and a molecular weight of 237.52 g/mol. Its IUPAC name is magnesium;2-amino-3-methylbutanoic acid;sulfate.

Molecular Properties

Compound Namemagnesium;2-amino-3-methylbutanoic acid;sulfate
PubChem CID87981474
Molecular FormulaC5H11MgNO6S
Molecular Weight237.52 g/mol
Exact Mass237.02
IUPAC Namemagnesium;2-amino-3-methylbutanoic acid;sulfate
SMILESCC(C)C(N)C(=O)O.O=S(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C5H11NO2.Mg.H2O4S/c1-3(2)4(6)5(7)8;;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyJHGLUJMOZUGYAB-UHFFFAOYSA-L
XLogP-1.66
TPSA143.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

silver 2-amino-3-methylbutanoic acid
CID 19021116
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
(2S)-2-amino-3-methylbutanoic acid;benzene;sulfuryl dichloride
CID 158924541
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
2-amino-3-methylbutanoic acid;methylcyclopropane
CID 66778248
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028

Frequently Asked Questions

What is the IUPAC name of magnesium;2-amino-3-methylbutanoic acid;sulfate?
The IUPAC name of magnesium;2-amino-3-methylbutanoic acid;sulfate (CID 87981474) is magnesium;2-amino-3-methylbutanoic acid;sulfate.
What is the SMILES notation for magnesium;2-amino-3-methylbutanoic acid;sulfate?
The canonical SMILES for magnesium;2-amino-3-methylbutanoic acid;sulfate is CC(C)C(N)C(=O)O.O=S(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;2-amino-3-methylbutanoic acid;sulfate?
The InChIKey is JHGLUJMOZUGYAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11NO2.Mg.H2O4S/c1-3(2)4(6)5(7)8;;1-5(2,3)4/h3-4H,6H2,1-2H3,(H,7,8);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of magnesium;2-amino-3-methylbutanoic acid;sulfate?
magnesium;2-amino-3-methylbutanoic acid;sulfate has a molecular weight of 237.52 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-amino-3-methylbutanoic acid;sulfate is sourced from PubChem (CID 87981474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).